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Cer 17:3;2O/4:0
SpectraBase Compound ID 7HQMnCT4G2g
InChI InChI=1S/C21H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(24)19(18-23)22-21(25)16-4-2/h7-8,11-12,15,17,19-20,23-24H,3-6,9-10,13-14,16,18H2,1-2H3,(H,22,25)/b8-7+,12-11+,17-15+
InChIKey OPKFCPJFVITTGV-FAVOTXQUNA-N
Mol Weight 351.5 g/mol
Molecular Formula C21H37NO3
Exact Mass 351.277344 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LQbIRxkV23M
Name Cer 17:3;2O/4:0
Classification Sphingolipids [SP]
Comments Ceramide non-hydroxyfatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.277344052 u
Formula C21H37NO3
InChI InChI=1S/C21H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(24)19(18-23)22-21(25)16-4-2/h7-8,11-12,15,17,19-20,23-24H,3-6,9-10,13-14,16,18H2,1-2H3,(H,22,25)/b8-7+,12-11+,17-15+
InChIKey OPKFCPJFVITTGV-FAVOTXQUNA-N
Ion Polarity N
Literature Reference Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163.
Literature Reference DOI https://doi.org/10.1038/s41587-020-0531-2
Precursor Ion [M+HCOO]-
SMILES CCCC\C=C\CC\C=C\CC\C=C\C(O)C(CO)NC(=O)CCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES